4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide

C9H17NOS — CID 123300412

IUPAC4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide
SMILESCC1CC(N2CCS(=O)CC2)C1
InChIInChI=1S/C9H17NOS/c1-8-6-9(7-8)10-2-4-12(11)5-3-10/h8-9H,2-7H2,1H3
InChIKeyRWWCQBXZOMHXJW-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.85
Rot. Bonds1

About 4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide

4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide (PubChem CID 123300412) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide
PubChem CID123300412
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide
SMILESCC1CC(N2CCS(=O)CC2)C1
InChIInChI=1S/C9H17NOS/c1-8-6-9(7-8)10-2-4-12(11)5-3-10/h8-9H,2-7H2,1H3
InChIKeyRWWCQBXZOMHXJW-UHFFFAOYSA-N
XLogP0.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 284318
N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine
CID 71861030
4-(Cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71869605
4-Methyl-4-(3-methylbutyl)-1,4-thiazinan-4-ium 1-oxide iodide
CID 126476109
1-[1-(3-Methylbutylsulfonyl)pentan-2-yl]piperidine
CID 9860773
5-(1-Piperidyl)pentyl isopentyl sulfoxide
CID 18965251
3-(1-Piperidyl)propyl isopentyl sulfoxide
CID 18965278
1-[1-(3-Methylbutylsulfinyl)pentan-2-yl]piperidine
CID 22256693
1-(3-Methyl-1-pentylsulfinylbutan-2-yl)piperidine
CID 54126515
1-(1-Ethylsulfinylbutan-2-yl)piperidine
CID 54457795
1-(1-Ethylsulfinylpentan-2-yl)piperidine
CID 54503972
4-(3-Propan-2-ylazetidin-1-yl)thiane 1-oxide
CID 58054366

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide (CID 123300412) is 4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide is CC1CC(N2CCS(=O)CC2)C1.
What is the InChIKey of 4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide?
The InChIKey is RWWCQBXZOMHXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-8-6-9(7-8)10-2-4-12(11)5-3-10/h8-9H,2-7H2,1H3.
What are the key properties of 4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide?
4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide has a molecular weight of 187.31 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclobutyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 123300412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).